Geometry & MOs

Info

ID:

181703

PubChem CID:

76780551

Reduced:

PN2O25C69H125 (1)

Stoich.:

AB2C25D69E125 (1)

Weight, g/mol:

785.472749

ΔHf, kcal/mol:

-1338.18

Dipole, Da:

4.0

IP(EA), eV:

 -9.32(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[3-(dimethylamino)-5-[[1-(dimethylamino)-3-(2-hydroxyphenyl)propan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-4-(1-hydroxyethyl)-5-(hydroxymethyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,2-oxazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OC)OCCNC(=O)CCCCC(=O)NCCCOC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)C)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations